4U9V

Crystal structure of NatD (Naa40p) bound to acetyl CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	88.256, 44.064, 50.356
Unit cell angles	90.00, 95.44, 90.00

Refinement procedure

Resolution	43.929 - 1.780
R-factor	0.1693
Rwork	0.167
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ua3
RMSD bond length	0.009
RMSD bond angle	1.126
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.840
High resolution limit [Å]	1.780	3.830	1.780
Rmerge	0.074	0.035	0.471
Total number of observations	150300
Number of reflections	18521
<I/σ(I)>	7
Completeness [%]	98.5	100	87.5
Redundancy	8.1	9	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	20% PEG 3350, 100 mM sodium citrate tribasic dihydrate, 100 mM citric acid